SCHEMBL7268

SCHEMBL7268

CCOC(=O)c1cc(O)n(-c2ccccc2)n1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.68
GAA P10253 1/20 0.68
MAPT P10636 4/20 0.64
POLB P06746 1/20 0.63
TP53 P04637 4/20 0.61
TDP1 Q9NUW8 2/20 0.60
MEN1 O00255 2/20 0.60
ALDH1A1 P00352 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
THRB P10828 1/20 0.59
LMNA P02545 1/20 0.59
PDE4D Q08499 1/20 0.58
CA9 Q16790 1/20 0.57
ALOX12 P18054 2/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28625965 0.99 KMT2A (0.67) KMT2AGAAMAPTPOLBTP53
SCHEMBL16613223 0.90 KMT2A (0.56) KMT2AGAAMAPTPOLBTP53
SCHEMBL21350911 0.90 KMT2A (0.57) KMT2AGAAMAPTPOLBTP53
SCHEMBL16598061 0.90 KMT2A (0.57) KMT2AGAAMAPTPOLBTP53
SCHEMBL3299372 0.88 KMT2A (0.68) KMT2AGAAMAPTPOLBTP53
SCHEMBL537642 0.87 CHRNA7 (0.60) KMT2AGAAMAPTPOLBTP53
SCHEMBL18542682 0.87 KMT2A (0.54) KMT2AGAAMAPTPOLBTP53
SCHEMBL537295 0.86 KMT2A (0.56) KMT2AGAAMAPTPOLBTP53
SCHEMBL22896893 0.86 KMT2A (0.65) KMT2AGAAMAPTPOLBTP53
SCHEMBL2835335 0.86 KMT2A (0.65) KMT2AGAAMAPTPOLBTP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
CN-102695710-B Tricyclic pyrazole sulfonamide derivatives MERCK SERONO S.A. (CH) 2015-08-19 CN disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-8598179-B2 Pyrazole-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2013-12-03 US disclosed
US-8426420-B2 Heterocyclic pyrazole-carboxamidesas P2Y12 antagonists SANOFI (FR) 2013-04-23 US disclosed
CN-102695710-A Tricyclic pyrazol amine derivatives MERCK SERONO SA 2012-09-26 CN disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO disclosed
US-20110039829-A1 PYRAZOLE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2011-02-17 US disclosed
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2011-01-27 US disclosed
US-20100292273-A1 Cannabinoid Receptor Modulators 7TM PHARMA A/S (DK) 2010-11-18 US disclosed
EP-2238128-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-10-13 EP disclosed
EP-2238127-A2 PYRAZOLE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-10-13 EP disclosed
WO-2009080226-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFIS-AVENTIS (FR) 2009-07-02 WO disclosed
WO-2009080227-A2 PYRAZOLE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2009-07-02 WO disclosed
WO-1996011196-A1 PYRAZOLYLMETHYL-THIAZOLIDINES USEFUL AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-18 WO disclosed
US-4837335-A Process for the preparation of pure 1-phenyl-3-carbalkoxy-5-hydroxypyrazoles CHEMIE LINZ G.M.B.H. (AT) 1989-06-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA KMT2A 936/4885GAA 3868/4885MAPT 965/4885
US-20100292273-A1 Cannabinoid Receptor Modulators CNR1, CNR2, CBR1 KMT2A 2891/4885GAA 4658/4885MAPT 4711/4885
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS P2RY1, P2RY12, P2RY11 KMT2A 2872/4885GAA 1779/4885MAPT 4875/4885
US-20110039829-A1 PYRAZOLE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY1, P2RY12, P2RY11 KMT2A 2902/4885GAA 1670/4885MAPT 4863/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.